Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLQSLFLGILIIIAVLLLGVRQLEKTSGMSGAKVLTIYNWGDYIDPSLITKFEKEYGYKVNYETFDSNEAMFTKIQQGGTNYDIAIPSEYMIQKMIKEKLVLPLDHSKIKGLNNIDPRFLD-LD-FDPDNQYSIPYFWGTLGIVYNDKFFDAN-----QIKHWDDLWKPELKDS-----LMLIDGAREVMGLSLNSLGYSLNSKNMAQ-LTEAANKLNHLTPNVKAIVADEIKMYMINEEASVAVTFSGEAADMMW------ENEHLHYVIPPEGSNLWFDNIVMPKTVKNKEGAYDFINFMLEPENAAQNAEYIGYSTPNEEAKALLPKDISSDEQFYPSDDTISHLEVYKDLGSKYLGIYNDLFLEFKMYRR 1A99 Chain:B ((3-343)) ---------------------------------QKTLHIYNWSDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTGFDLVVPSASFLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNKFAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVSFLDAPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQYINDLANGDICVAIGWAGDVWQASNRAKEAKNGVNVSFSIPKEGAMAFFDVFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAEVRENPGIYPPADVRAKLFTLKVQDPKIDRVRTRAWTKVKSG--

General information: TITO was launched using: RESULT: Template: 1A99.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1785 5074 2.84 15.76 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 2.84 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_1A99.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A99-query.scw PDB file : Tito_Scwrl_1A99.pdb: